MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP010693
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP010693
RECORD_TITLE: (+)-ALPHA-MUUROLENE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: EGUCHI S, FAC. OF SCIENCE, HIROSHIMA UNIV.
LICENSE: CC BY-NC-SA
CH$NAME: (+)-ALPHA-MUUROLENE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C15H24
CH$EXACT_MASS: 204.18780
CH$SMILES: CC(C2)=C([H])C([H])(C([H])(C(C)C)1)C([H])(C2)C(C)=C([H])C1
CH$IUPAC: InChI=1S/C15H24/c1-10(2)13-8-6-12(4)14-7-5-11(3)9-15(13)14/h6,9-10,13-15H,5,7-8H2,1-4H3/t13-,14+,15-/m1/s1
CH$LINK: INCHIKEY
QMAYBMKBYCGXDH-QLFBSQMISA-N
AC$INSTRUMENT: HITACHI RMU-6L
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 70 eV
MS$FOCUSED_ION: ION_TYPE [M]+*
PK$SPLASH: splash10-052f-6900000000-e29d06058de77b5a076d
PK$NUM_PEAK: 82
PK$PEAK: m/z int. rel.int.
41 40.3 403
42 3.2 32
43 20.9 209
44 0.16 2
51 4.8 48
52 1.6 16
53 12.9 129
54 0.16 2
55 19.4 194
56 3.2 32
57 8.1 81
63 0.24 2
64 1.6 16
65 8.1 81
66 1.6 16
67 0.89 9
68 1.6 16
69 11.3 113
70 1.6 16
73 0.16 2
77 19.4 194
78 4.8 48
79 19.4 194
80 0.48 5
81 29 290
82 3.2 32
83 1.6 16
89 0.16 2
91 27.4 274
92 11.3 113
93 37.1 371
94 3.55 36
95 9.7 97
103 4 40
104 2.4 24
105 99.99 999
106 17.7 177
107 11.3 113
108 9.7 97
109 0.32 3
110 1.6 16
115 6.5 65
116 2.4 24
117 0.81 8
118 3.2 32
119 29 290
120 6.5 65
121 1.13 11
122 4.8 48
123 9.7 97
127 1.6 16
128 0.48 5
129 4.8 48
130 3.2 32
131 5.6 56
132 0.16 2
133 14.5 145
134 8.1 81
135 4.8 48
136 0.32 3
141 2.4 24
142 1.6 16
143 2.4 24
144 0.16 2
145 8.1 81
146 2.4 24
147 22.6 226
148 0.97 10
149 6.5 65
150 1.6 16
159 2.4 24
160 0.48 5
161 56.5 565
162 19.4 194
163 2.4 24
175 0.48 5
176 2.4 24
189 12.9 129
190 4 40
204 3.55 36
205 6.5 65
206 1.6 16
//
system version 2.2.3-SNAPSHOT